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International Winter School "Computation of ... (No replies)

3 months ago
ari.p.seitsonen 3 months ago

  On behalf of the organizing committee, it is my pleasure to announce the International Winter School

        "Computation of NMR properties"


which will be held from November 13th to 17th 2017 at CEA Paris-Saclay - INSTN

  This School focuses on the computation of NMR parameters by DFT methods and applications in solids and liquids.

The following topics will be covered :
   - Principles of NMR spectroscopy and formalism
   - Simulation of NMR spectra
   - DFT method
   - DFT-NMR in molecular systems (localized basis-set methods)
   - DFT-NMR in solids (GIPAW methods)
   - Introduction to molecular dynamics
   - Applications (NMR crystallography, quadrupolar nuclei, disordered systems, MRI, glasses)

  The school is organized in 5 half-days (morning) of theoretical lectures and 4 half-days of hands-on sessions (afternoon).

  Registration is open through the website:

M.H. Levitt, N. Giraud, J.N. Dumez, J.D. Gale, A. Auer, A.P. Seitsonen, C. Martineau, F. Fayon, M. Salanne, J.V. Hanna, R. Pollet and T. Charpentier

Quantum Espresso http://www.quantum-espresso.org/
ORCA https://orcaforum.cec.mpg.de/

[email protected]
[email protected]

        Thibault Charpentier

Thibault Charpentier
NIMBE UMR 3685, CEA, CNRS, Université Paris-Saclay, CEA Saclay

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Ab initio (from electronic structure) calculation of complex processes in materials